zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate

C7H16N2S3SiZn — CID 163802443

IUPACzinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate
SMILESC[SiH2]C(=S)NC(C)CNC(=S)[S-].[CH3-].[Zn+2]
InChIInChI=1S/C6H14N2S3Si.CH3.Zn/c1-4(3-7-5(9)10)8-6(11)12-2;;/h4H,3,12H2,1-2H3,(H,8,11)(H2,7,9,10);1H3;/q;-1;+2/p-1
InChIKeyVNXBTSYLALUXOW-UHFFFAOYSA-M
MW317.90 g/mol
LogP0.34
Rot. Bonds4

About zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate

zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate (PubChem CID 163802443) has the molecular formula C7H16N2S3SiZn and a molecular weight of 317.90 g/mol. Its IUPAC name is zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate.

Molecular Properties

Compound Namezinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate
PubChem CID163802443
Molecular FormulaC7H16N2S3SiZn
Molecular Weight317.90 g/mol
Exact Mass315.95
IUPAC Namezinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate
SMILESC[SiH2]C(=S)NC(C)CNC(=S)[S-].[CH3-].[Zn+2]
InChIInChI=1S/C6H14N2S3Si.CH3.Zn/c1-4(3-7-5(9)10)8-6(11)12-2;;/h4H,3,12H2,1-2H3,(H,8,11)(H2,7,9,10);1H3;/q;-1;+2/p-1
InChIKeyVNXBTSYLALUXOW-UHFFFAOYSA-M
XLogP0.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate
CID 159161097
zinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamothioate
CID 21357618
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
ethyl N-[2-(propanoylamino)propyl]carbamodithioate
CID 59072300
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 141002094
tris(N-hexan-2-ylcarbamodithioate);indium(3+)
CID 159916706
N-(2-ethylhexyl)carbamodithioate;molybdenum
CID 174269614
tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate?
The IUPAC name of zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate (CID 163802443) is zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate.
What is the SMILES notation for zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate?
The canonical SMILES for zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate is C[SiH2]C(=S)NC(C)CNC(=S)[S-].[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate?
The InChIKey is VNXBTSYLALUXOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2S3Si.CH3.Zn/c1-4(3-7-5(9)10)8-6(11)12-2;;/h4H,3,12H2,1-2H3,(H,8,11)(H2,7,9,10);1H3;/q;-1;+2/p-1.
What are the key properties of zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate?
zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate has a molecular weight of 317.90 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate is sourced from PubChem (CID 163802443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).